4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide

C8H10FNO2 — CID 88968664

IUPAC4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide
SMILESCONC(=O)C1C=CC(F)=CC1
InChIInChI=1S/C8H10FNO2/c1-12-10-8(11)6-2-4-7(9)5-3-6/h2,4-6H,3H2,1H3,(H,10,11)
InChIKeyGQVBMVWQTGNOKG-UHFFFAOYSA-N
MW171.17 g/mol
LogP1.09
Rot. Bonds2

About 4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide

4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide (PubChem CID 88968664) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide
PubChem CID88968664
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide
SMILESCONC(=O)C1C=CC(F)=CC1
InChIInChI=1S/C8H10FNO2/c1-12-10-8(11)6-2-4-7(9)5-3-6/h2,4-6H,3H2,1H3,(H,10,11)
InChIKeyGQVBMVWQTGNOKG-UHFFFAOYSA-N
XLogP1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 69241906
5-Fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide
CID 129273137
2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide
CID 143665533
5,6-Difluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 156273581
1-Fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 176085030
(E)-2-ethyl-2-fluoro-N-methoxypent-3-enamide
CID 178847447
N-hydroxy-3-(4-methylcyclohexa-1,5-dien-1-yl)propanamide
CID 143576065
N-hydroxy-6-methylidenecyclohexa-2,4-diene-1-carboxamide
CID 175730763
N-hydroxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxamide
CID 176518088

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide (CID 88968664) is 4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide is CONC(=O)C1C=CC(F)=CC1.
What is the InChIKey of 4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide?
The InChIKey is GQVBMVWQTGNOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c1-12-10-8(11)6-2-4-7(9)5-3-6/h2,4-6H,3H2,1H3,(H,10,11).
What are the key properties of 4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide?
4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide has a molecular weight of 171.17 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 88968664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).